2,4-dimethyl-6-methylidenethiopyran

C8H10S — CID 20660054

IUPAC2,4-dimethyl-6-methylidenethiopyran
SMILESC=C1C=C(C)C=C(C)S1
InChIInChI=1S/C8H10S/c1-6-4-7(2)9-8(3)5-6/h4-5H,2H2,1,3H3
InChIKeySIVYLAMLKFDWOP-UHFFFAOYSA-N
MW138.23 g/mol
LogP3.10
Rot. Bonds

About 2,4-dimethyl-6-methylidenethiopyran

2,4-dimethyl-6-methylidenethiopyran (PubChem CID 20660054) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylidenethiopyran.

Molecular Properties

Compound Name2,4-dimethyl-6-methylidenethiopyran
PubChem CID20660054
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name2,4-dimethyl-6-methylidenethiopyran
SMILESC=C1C=C(C)C=C(C)S1
InChIInChI=1S/C8H10S/c1-6-4-7(2)9-8(3)5-6/h4-5H,2H2,1,3H3
InChIKeySIVYLAMLKFDWOP-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-methylidenethiopyran?
The IUPAC name of 2,4-dimethyl-6-methylidenethiopyran (CID 20660054) is 2,4-dimethyl-6-methylidenethiopyran.
What is the SMILES notation for 2,4-dimethyl-6-methylidenethiopyran?
The canonical SMILES for 2,4-dimethyl-6-methylidenethiopyran is C=C1C=C(C)C=C(C)S1.
What is the InChIKey of 2,4-dimethyl-6-methylidenethiopyran?
The InChIKey is SIVYLAMLKFDWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-6-4-7(2)9-8(3)5-6/h4-5H,2H2,1,3H3.
What are the key properties of 2,4-dimethyl-6-methylidenethiopyran?
2,4-dimethyl-6-methylidenethiopyran has a molecular weight of 138.23 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylidenethiopyran is sourced from PubChem (CID 20660054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).